1-[6-bromanyl-1-(2,2-diphenylethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]heptan-1-one

Systemtic Name: 1-[6-bromanyl-1-(2,2-diphenylethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]heptan-1-one Openeye Name: 1-[6-bromo-1-(2,2-diphenylethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]heptan-1-one CAS Name: 1-[6-bromo-1-(2,2-diphenylethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-heptanone IUPAC Name: 1-[6-bromo-1-(2,2-diphenylethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]heptan-1-one Traditional Name: 1-[6-bromo-1-(2,2-diphenylethyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]heptan-1-one Formula: C31H36BrNO2 MolecularWeight: 534.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCC2=CC(=C(C=C2C1CC(C3=CC=CC=C3)C4=CC=CC=C4)OC)Br

Isomeric SMILES

CCCCCCC(=O)N1CCC2=CC(=C(C=C2C1CC(C3=CC=CC=C3)C4=CC=CC=C4)OC)Br

InChI

InChI=1S/C31H36BrNO2/c1-3-4-5-12-17-31(34)33-19-18-25-20-28(32)30(35-2)22-27(25)29(33)21-26(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,20,22,26,29H,3-5,12,17-19,21H2,1-2H3